diethylphosphonofluoroacetic acid

Base Information

• Chemical Name: diethylphosphonofluoroacetic acid
• CAS No.: 30094-32-7
• Molecular Formula: C6H12FO5P
• Molecular Weight: 214.13
• Hs Code.: 2931900090
• Mol file: 30094-32-7.mol

Synonyms:Aceticacid, (diethoxyphosphinyl)fluoro- (9CI);Acetic acid, fluorophosphono-,P,P-diethyl ester (8CI);(Diethoxyphosphinyl)fluoroacetic acid;(Diethylphosphono)fluoroacetic acid;2-Diethylphosphono-2-fluoroacetic acid;

Chemical Property of diethylphosphonofluoroacetic acid

Chemical Property:

• Boiling Point: 310.95 °C at 760 mmHg
• Flash Point: 141.858 °C
• PSA: 82.64000
• Density: 1.299 g/cm³
• LogP: 1.63270

Purity/Quality:

98% ^*data from raw suppliers

2-Diethylphosphono-2-fluoroacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of diethylphosphonofluoroacetic acid

There total 3 articles about diethylphosphonofluoroacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

ethyl(diethylphosphono)(fluoro)acetate (2356-16-3) → (diethoxy phosphoryl) fluoroacetic acid (30094-32-7)

Guidance literature:

ethyl(diethylphosphono)(fluoro)acetate; With water; sodium hydroxide; In ethanol; at 20 ℃;

With hydrogenchloride; In water; pH=Ca.1;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + diethyl dibromofluoromethylphosphonate (65094-25-9) → (diethoxy phosphoryl) fluoroacetic acid (30094-32-7)

Guidance literature:

With hydrogenchloride; n-butyllithium; chloro-trimethyl-silane; Yield given. Multistep reaction; 1.) THF, hexane, -78 deg C, 10 min, 2.) -60 deg C, 15 min; 20 deg C, 10 min, 3.) CH₂Cl₂, 10 min;

DOI:10.1016/S0040-4020(97)00312-8

Reference yield:

→ (diethoxy phosphoryl) fluoroacetic acid (30094-32-7)

Guidance literature:

upstream raw materials:

ethyl(diethylphosphono)(fluoro)acetate

carbon dioxide

diethyl dibromofluoromethylphosphonate

Downstream raw materials:

Diethyl phosphate

(Z)-2-fluoro-3-phenylacrylic acid

2-fluoro-5t-phenyl-penta-2ξ,4-dienoic acid

(Z)-2-fluoro-3-(4-methoxyphenyl)-2-propenoic acid

Refernces

• 1、 Ponra, Sudipta,Rabten, Wangchuk,Yang, Jianping,Wu, Haibo,Kerdphon, Sutthichat,Andersson, Pher G.. "Diastereo- and Enantioselective Synthesis of Fluorine Motifs with Two Contiguous Stereogenic Centers". supporting information. p. 13878 - 13883. Retrieved 2018/10/24.
• 2、 Xia, Guangxin,Chen, Wenteng,Zhang, Jing,Shao, Jiaan,Zhang, Yong,Huang, Wei,Zhang, Leduo,Qi, Weixing,Sun, Xing,Li, Bojun,Xiang, Zhixiong,Ma, Chen,Xu, Jia,Deng, Hailin,Li, Yufeng,Li, Ping,Miao, Hong,Han, Jiansheng,Liu, Yanjun,Shen, Jingkang,Yu, Yongping. "A chemical tuned strategy to develop novel irreversible EGFR-TK inhibitors with improved safety and pharmacokinetic profiles". . p. 9889 - 9900. Retrieved 2015/02/02.